Study on the noncoincidence effect phenomenon using matrix isolated Raman spectra and the proposed structural organization model of acetone in condense phase

The isotropic and anisotropic Raman spectra of acetone and deuterated acetone isolated in an argon matrix have been recorded for the understanding of noncoincidence effect (NCE) phenomenon. According to the matrix isolated Raman spectra and DFT calculations, we proposed aggregated model for the expl...

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Autores principales: Xu, Wenwen, Wu, Fengqi, Zhao, Yanying, Zhou, Ran, Wang, Huigang, Zheng, Xuming, Ni, Bukuo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5335557/
https://www.ncbi.nlm.nih.gov/pubmed/28256639
http://dx.doi.org/10.1038/srep43835
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author Xu, Wenwen
Wu, Fengqi
Zhao, Yanying
Zhou, Ran
Wang, Huigang
Zheng, Xuming
Ni, Bukuo
author_facet Xu, Wenwen
Wu, Fengqi
Zhao, Yanying
Zhou, Ran
Wang, Huigang
Zheng, Xuming
Ni, Bukuo
author_sort Xu, Wenwen
collection PubMed
description The isotropic and anisotropic Raman spectra of acetone and deuterated acetone isolated in an argon matrix have been recorded for the understanding of noncoincidence effect (NCE) phenomenon. According to the matrix isolated Raman spectra and DFT calculations, we proposed aggregated model for the explanations of the acetone C=O vibration NCE phenomenon and its concentration effect. The experimental data were in consistence with the DFT calculations performed at the B3LYP-D3/6-311 G (d,p) levels based on the proposed model. The experimental identification of the monomer, dimer and trimer are reported here, and the dynamic of the transformation from monomer to aggregated structure can be easily controlled by tuning annealing temperature.
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spelling pubmed-53355572017-03-07 Study on the noncoincidence effect phenomenon using matrix isolated Raman spectra and the proposed structural organization model of acetone in condense phase Xu, Wenwen Wu, Fengqi Zhao, Yanying Zhou, Ran Wang, Huigang Zheng, Xuming Ni, Bukuo Sci Rep Article The isotropic and anisotropic Raman spectra of acetone and deuterated acetone isolated in an argon matrix have been recorded for the understanding of noncoincidence effect (NCE) phenomenon. According to the matrix isolated Raman spectra and DFT calculations, we proposed aggregated model for the explanations of the acetone C=O vibration NCE phenomenon and its concentration effect. The experimental data were in consistence with the DFT calculations performed at the B3LYP-D3/6-311 G (d,p) levels based on the proposed model. The experimental identification of the monomer, dimer and trimer are reported here, and the dynamic of the transformation from monomer to aggregated structure can be easily controlled by tuning annealing temperature. Nature Publishing Group 2017-03-03 /pmc/articles/PMC5335557/ /pubmed/28256639 http://dx.doi.org/10.1038/srep43835 Text en Copyright © 2017, The Author(s) http://creativecommons.org/licenses/by/4.0/ This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/
spellingShingle Article
Xu, Wenwen
Wu, Fengqi
Zhao, Yanying
Zhou, Ran
Wang, Huigang
Zheng, Xuming
Ni, Bukuo
Study on the noncoincidence effect phenomenon using matrix isolated Raman spectra and the proposed structural organization model of acetone in condense phase
title Study on the noncoincidence effect phenomenon using matrix isolated Raman spectra and the proposed structural organization model of acetone in condense phase
title_full Study on the noncoincidence effect phenomenon using matrix isolated Raman spectra and the proposed structural organization model of acetone in condense phase
title_fullStr Study on the noncoincidence effect phenomenon using matrix isolated Raman spectra and the proposed structural organization model of acetone in condense phase
title_full_unstemmed Study on the noncoincidence effect phenomenon using matrix isolated Raman spectra and the proposed structural organization model of acetone in condense phase
title_short Study on the noncoincidence effect phenomenon using matrix isolated Raman spectra and the proposed structural organization model of acetone in condense phase
title_sort study on the noncoincidence effect phenomenon using matrix isolated raman spectra and the proposed structural organization model of acetone in condense phase
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5335557/
https://www.ncbi.nlm.nih.gov/pubmed/28256639
http://dx.doi.org/10.1038/srep43835
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